SCHEMBL6576483

SCHEMBL6576483

CCCCCCCCCCOc1ccc(N(C)C(=O)COC)c(C(=O)OCC)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 9/20 0.47
THRB P10828 8/20 0.47
PTPN11 Q06124 3/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PLA2G4B P0C869 1/20 0.41
TSHR P16473 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6578828 0.81 KMT2A (0.45) MAOATSHRALDH1A1LMNA
SCHEMBL6579115 0.77 THRA (0.42) THRATHRBMAOBPLA2G4BTSHR
SCHEMBL6581974 0.76 PPARA (0.47) THRATHRB
SCHEMBL6581909 0.76 PPARA (0.47) THRATHRB
SCHEMBL6579060 0.76 MAPT (0.41) THRATHRBTSHRALDH1A1LMNA
SCHEMBL9015804 0.76 THRA (0.53) THRATHRBPTPN11PLA2G4BTSHR
SCHEMBL6576677 0.76 CYP1A2 (0.43) TSHRALDH1A1LMNA
SCHEMBL27733999 0.74 CA12 (0.61) THRATHRBMAOBTSHRALDH1A1
SCHEMBL6581270 0.74 KMT2A (0.42) MAOATSHRALDH1A1LMNA
SCHEMBL8185682 0.73 HSD17B10 (0.57) THRATHRBPTPN11PLA2G4BTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP disclosed
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed